2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile

C15H20N2O — CID 113243187

IUPAC2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(NCc2cccc(OCC#N)c2)C1
InChIInChI=1S/C15H20N2O/c1-12-5-6-14(9-12)17-11-13-3-2-4-15(10-13)18-8-7-16/h2-4,10,12,14,17H,5-6,8-9,11H2,1H3
InChIKeyVTVLXNGOWLXFPW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.87
Rot. Bonds5

About 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile

2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile (PubChem CID 113243187) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
PubChem CID113243187
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(NCc2cccc(OCC#N)c2)C1
InChIInChI=1S/C15H20N2O/c1-12-5-6-14(9-12)17-11-13-3-2-4-15(10-13)18-8-7-16/h2-4,10,12,14,17H,5-6,8-9,11H2,1H3
InChIKeyVTVLXNGOWLXFPW-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(2-methylcyclopropyl)amino]methyl]phenoxy]acetonitrile
CID 62396714
2-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 103902231
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
2-[3-[(3-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721143
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
2-[3-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenoxy]acetonitrile
CID 106184192
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 79386301
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile (CID 113243187) is 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile is CC1CCC(NCc2cccc(OCC#N)c2)C1.
What is the InChIKey of 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile?
The InChIKey is VTVLXNGOWLXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-5-6-14(9-12)17-11-13-3-2-4-15(10-13)18-8-7-16/h2-4,10,12,14,17H,5-6,8-9,11H2,1H3.
What are the key properties of 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile?
2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 113243187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).